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Journal of Physical Chemistry C(3)
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scopus(10)
Effect of the support on the electronic structure of Au nanoparticles supported on transition metal carbides: Choice of the best substrate for Au activation
ArticleAbstract: Periodic density functional theory calculations on large supercells have been carried out to investiPalabras claves:Autores:Florez E., Illas F., Leticia Feria, Rodríguez J.A., Viñes F.Fuentes:scopusNew QSPR model for pbkp_rediction of corrosion inhibition using conceptual density functional theory
ArticleAbstract: The relationship between structure and corrosion inhibition of a series of twenty-eight quinoline anPalabras claves:Corrosion inhibitor, DFT, hardness, Heterocyclic compounds, QSPRAutores:Alvarado-Rodríguez J.G., Camacho-Mendoza R.L., Cruz-Borbolla J., Leticia Feria, Zárate-Hernández L.Á.Fuentes:scopusNonconventional C–H···Cu Interaction Between Copper Cu<inf> n</inf> Clusters (n = 3–20) and Aromatic Compounds
ArticleAbstract: The present study examines bonding patterns between copper Cun clusters (n = 3–20) and aromatic compPalabras claves:Aromatic compounds, Copper clusters, Cu–arene interactions, C–H···Cu interactions, DFT studiesAutores:Camacho-Mendoza R.L., Cruz-Borbolla J., González‐Montiel S., Leticia Feria, Rangel-Peña U.J.Fuentes:scopusImportance of the metal-oxide interface in catalysis: In situ studies of the water-gas shift reaction by ambient-pressure X-ray photoelectron spectroscopy
ArticleAbstract: Where oxide and metals meet: The activation of an efficient associative mechanistic pathway for thePalabras claves:Ceria, Heterogeneous catalysis, nanocatalysis, surface chemistry, water-gas shift reactionAutores:Agnoli S., Alba Beatriz Vidal, Axnanda S., Baber A.E., Chang R., Evans J., Graciani J., Kundu S., Leticia Feria, Liu P., Liu Z., Mudiyanselage K., Rodríguez J.A., Sanz J.F., Senanayake S.D., Stacchiola D.J.Fuentes:scopusInvestigation of anodic passive layers on tin-indium alloys by photocurrent and electrochemical impedance spectroscopies
ArticleAbstract: The semiconductor properties of anodic passive layers formed on tin and tin-indium electrodes have bPalabras claves:Autores:Leticia Feria, Moina C.A., Varela F.E., Vilche J.R., Ybarra G.O.Fuentes:scopusSingle Ni Sites Supported on CeO <inf>2</inf> (111) Reveal Cooperative Effects in the Water-Gas Shift Reaction
ArticleAbstract: Density functional theory (DFT) calculations have been performed to study the water-gas shift (WGS)Palabras claves:Autores:Ganduglia-Pirovano M.V., Leticia Feria, Lustemberg P.G.Fuentes:scopusRole of Au-C interactions on the catalytic activity of Au nanoparticles supported on TiC(001) toward molecular oxygen dissociation
ArticleAbstract: High-resolution photoemission and density functional calculations on realistic slab surface models wPalabras claves:Autores:Illas F., Jirsak T., Leticia Feria, Nakamura K., Rodríguez J.A., Takahashi Y.Fuentes:scopusThe influence of iodide in corrosion inhibition by organic compounds on carbon steel: Theoretical and experimental studies
ArticleAbstract: The corrosion inhibition by cinnamic, p-coumaric and caffeic acid on carbon steel in 1.0 M HCl and iPalabras claves:Acid corrosion, Carboxylates, Corrosion inhibitors, DFT, ElectrochemistryAutores:Aquino-Torres E., Camacho-Mendoza R.L., Cruz-Borbolla J., Gutierrez E., Leticia Feria, Rodriguez J.A., Thangarasu P.Fuentes:scopusTheoretical Study of the Energetic and Possible Intermediates of the CH<inf>3</inf>CH<inf>2</inf>O<inf>2</inf> Self-Reaction
Conference ObjectAbstract: By means of ab initio and density functional theory methods we have studied the geometry and electroPalabras claves:Ethyl peroxyl radical, Self-reaction, Theoretical studyAutores:Castro M., Gonzalez C.A., Leticia FeriaFuentes:scopusTheoretical study of the interaction of CO on TiC(001) and Au nanoparticles supported on TiC(001): Probing the nature of the Au/TiC interface
ArticleAbstract: The interaction of CO with the bare TiC(001) surface and with Au n (n = 4, 9, 13) nanoparticles suppPalabras claves:Autores:Asara G.G., Florez E., Illas F., Leticia Feria, Liu P., Ricart J.M., Rodríguez J.A.Fuentes:scopus